Chemical ID: 6009020

Cc1csc(n1)NC(=O)CN(CC2CCCCC2)C(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
6009020
Name [?]:
N-(cyclohexylmethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-4-(trifluoromethyl)benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCCC2)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C21H24F3N3O2S/c1-14-13-30-20(25-14)26-18(28)12-27(11-15-5-3-2-4-6-15)19(29)16-7-9-17(10-8-16)21(22,23)24/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,22,26,23,25,12,10,3,2,13,21,24,8,19,5,27,28,29,30,6,7,11,9,20,4/E:(3,4)(5,6)(7,8)(9,10)(22,23,24)/rA:30nCCCSCNNCOCNCCCCCCCCOCCCCCCCFFF/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24F3N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1244
Area:625.788
Solvation:-4.52028
Coulombic:-62.0492
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:439.495
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.8
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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